Information card for entry 7226869

Structure parameters

• Formula: C90 H86 Cu9 N14 O32
• Calculated formula: C90 H86 Cu9 N14 O32
• Title of publication: A mixed-valent CuI/CuII metal‒organic framework with selective chemical sensing properties
• Authors of publication: Jiao, Chengli; Jiang, Xia; Chu, Hailiang; Jiang, Heqing; Sun, Lixian
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 44
• Pages of publication: 8683
• a: 10.6087 ± 0.0004 Å
• b: 14.778 ± 0.0007 Å
• c: 15.9432 ± 0.0008 Å
• α: 98.559 ± 0.004°
• β: 106.58 ± 0.004°
• γ: 104.976 ± 0.004°
• Cell volume: 2246.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No